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Chemical ID: 6335097
Chemical ID:
6335097
Name [?]:
2-phenoxy-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COc2ccccc2)C
InChi [?]:
InChI=1/C17H19NO2/c1-12-9-13(2)17(14(3)10-12)18-16(19)11-20-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,20,17,16,18,15,19,7,3,12,2,6,4,14,10,5,9,11,13/E:(2,3)(5,6)(7,8)(9,10)(13,14)/rA:20nCCCCCCCCNCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94479 |
Area: | 479.166 |
Solvation: | -4.03436 |
Coulombic: | -28.7638 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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